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1-Benzyl-1H-indole-5-carbonitrile
SpectraBase Compound ID 45FnylgZ3aX
InChI InChI=1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
InChIKey XZCSETGZSGBGCI-UHFFFAOYSA-N
Mol Weight 232.29 g/mol
Molecular Formula C16H12N2
Exact Mass 232.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5p0odjD6wEY
Name 1-Benzyl-1H-indole-5-carbonitrile
Alternate Name(s) 1-(Phenylmethyl)-5-indolecarbonitrile 1-(Phenylmethyl)indole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2
InChI InChI=1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
InChIKey XZCSETGZSGBGCI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101584k
Molecular Weight 232.286 g/mol
SMILES c1cc2[n](ccc2cc1C#N)Cc1ccccc1
SPLASH splash10-000x-9040000000-ef27ec57db963c383c8b
Source of Spectrum J-76-80/SMS4-Table2,entry4
Wiley ID 1751813